## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
D |
124 |
34 |
10376 |
◊ |
A |
x,y,z |
1_555 |
125 |
34 |
10360 |
1175.8 |
-6.9 |
0.298 |
15 |
12 |
0 |
0.143 |
2 |
|
C |
128 |
35 |
10317 |
◊ |
B |
x,y,z |
1_555 |
123 |
34 |
10240 |
1153.9 |
-8.4 |
0.208 |
11 |
11 |
0 |
0.143 |
Average: |
1164.9 |
-7.7 |
0.253 |
13 |
12 |
0 |
0.143 |
2 |
3 |
|
D |
99 |
29 |
10376 |
◊ |
C |
x,y,z |
1_555 |
102 |
29 |
10317 |
951.1 |
0.3 |
0.647 |
21 |
0 |
0 |
0.063 |
4 |
|
B |
96 |
28 |
10240 |
◊ |
A |
x,y,z |
1_555 |
98 |
29 |
10360 |
933.0 |
0.3 |
0.645 |
18 |
0 |
0 |
0.063 |
Average: |
942.0 |
0.3 |
0.646 |
20 |
0 |
0 |
0.063 |
3 |
5 |
|
B |
45 |
12 |
10240 |
◊ |
C |
x-1/2,-y-1/2,-z-1 |
4_444 |
58 |
19 |
10317 |
441.3 |
-8.5 |
0.032 |
1 |
0 |
0 |
0.090 |
4 |
6 |
|
B |
39 |
12 |
10240 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
46 |
15 |
10360 |
417.7 |
-0.3 |
0.574 |
4 |
1 |
0 |
0.000 |
5 |
7 |
|
C |
39 |
12 |
10317 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
39 |
12 |
10376 |
318.1 |
-3.0 |
0.286 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
23 |
8 |
10360 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
28 |
9 |
10360 |
237.9 |
1.1 |
0.715 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
20 |
8 |
10317 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
7 |
10360 |
190.6 |
-1.7 |
0.341 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
[SO4]A:1228 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
10360 |
89.9 |
-11.2 |
0.853 |
3 |
0 |
0 |
0.103 |
9 |
11 |
|
[SO4]D:1231 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
10376 |
85.3 |
-10.9 |
0.762 |
1 |
0 |
0 |
0.074 |
10 |
12 |
|
[SO4]C:1228 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
10317 |
79.6 |
-9.6 |
0.792 |
0 |
0 |
0 |
0.097 |
11 |
13 |
|
[SO4]B:1226 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
10240 |
76.3 |
-9.8 |
0.779 |
0 |
0 |
0 |
0.099 |
12 |
14 |
|
[SO4]A:1227 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10360 |
74.2 |
-10.4 |
0.705 |
3 |
0 |
0 |
0.096 |
13 |
15 |
|
[SO4]B:1224 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
10240 |
73.8 |
-10.3 |
0.709 |
2 |
0 |
0 |
0.112 |
14 |
16 |
|
[SO4]D:1225 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
10376 |
71.3 |
-9.9 |
0.691 |
3 |
0 |
0 |
0.074 |
15 |
17 |
|
[SO4]A:1226 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10360 |
70.9 |
-9.1 |
0.852 |
3 |
0 |
0 |
0.085 |
16 |
18 |
|
[SO4]C:1226 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
10317 |
70.5 |
-9.8 |
0.700 |
2 |
0 |
0 |
0.108 |
17 |
19 |
|
[SO4]D:1228 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
10376 |
69.2 |
-9.7 |
0.627 |
0 |
0 |
0 |
0.063 |
18 |
20 |
|
[SO4]C:1229 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
10317 |
65.3 |
-8.6 |
0.806 |
3 |
0 |
0 |
0.101 |
19 |
21 |
|
[SO4]C:1224 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
10317 |
64.4 |
-9.1 |
0.721 |
1 |
0 |
0 |
0.097 |
20 |
22 |
|
[SO4]D:1224 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
10376 |
64.0 |
-8.8 |
0.734 |
1 |
0 |
0 |
0.061 |
21 |
23 |
|
[SO4]A:1225 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10360 |
63.5 |
-8.8 |
0.729 |
1 |
0 |
0 |
0.076 |
22 |
24 |
|
[SO4]D:1225 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
10317 |
63.1 |
-8.9 |
0.606 |
1 |
0 |
0 |
0.061 |
23 |
25 |
|
[SO4]C:1226 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
10376 |
62.1 |
-8.2 |
0.608 |
1 |
0 |
0 |
0.056 |
24 |
26 |
|
[SO4]D:1230 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
10376 |
60.9 |
-8.0 |
0.682 |
1 |
0 |
0 |
0.055 |
25 |
27 |
|
[SO4]D:1227 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10376 |
60.7 |
-8.0 |
0.780 |
1 |
0 |
0 |
0.055 |
26 |
28 |
|
[SO4]B:1225 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
10240 |
60.6 |
-7.7 |
0.761 |
2 |
0 |
0 |
0.087 |
27 |
29 |
|
[SO4]C:1227 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
10317 |
59.7 |
-8.1 |
0.765 |
2 |
0 |
0 |
0.090 |
28 |
30 |
|
B |
9 |
3 |
10240 |
f |
[SO4]C:1225 |
x-1/2,-y-1/2,-z-1 |
4_444 |
5 |
1 |
185 |
57.4 |
-7.0 |
0.624 |
0 |
0 |
0 |
0.071 |
29 |
31 |
|
[SO4]B:1224 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
10360 |
56.9 |
-7.9 |
0.605 |
1 |
0 |
0 |
0.069 |
30 |
32 |
|
[SO4]A:1224 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
10360 |
56.7 |
-7.7 |
0.534 |
2 |
0 |
0 |
0.070 |
31 |
33 |
|
[SO4]A:1229 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10360 |
56.7 |
-7.5 |
0.741 |
2 |
0 |
0 |
0.069 |
32 |
34 |
|
[SO4]A:1227 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
10240 |
55.0 |
-8.0 |
0.579 |
1 |
0 |
0 |
0.069 |
33 |
35 |
|
[SO4]D:1226 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
10376 |
52.6 |
-7.2 |
0.523 |
2 |
0 |
0 |
0.053 |
34 |
36 |
|
[SO4]C:1225 |
3 |
1 |
185 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
10360 |
50.9 |
-5.2 |
0.889 |
2 |
0 |
0 |
0.000 |
35 |
37 |
|
[SO4]D:1229 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
10376 |
48.8 |
-5.7 |
0.851 |
1 |
0 |
0 |
0.040 |
36 |
38 |
|
[SO4]D:1229 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
10317 |
37.6 |
-4.4 |
0.621 |
0 |
0 |
0 |
0.029 |
37 |
39 |
|
[SO4]C:1224 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
10240 |
36.4 |
-4.5 |
0.587 |
0 |
0 |
0 |
0.043 |
38 |
40 |
|
[SO4]A:1225 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
10376 |
36.1 |
-4.5 |
0.518 |
0 |
0 |
0 |
0.028 |
39 |
41 |
|
[SO4]D:1224 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10360 |
35.6 |
-4.4 |
0.494 |
0 |
0 |
0 |
0.028 |
40 |
42 |
|
[SO4]C:1225 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10317 |
33.8 |
-3.3 |
0.961 |
1 |
0 |
0 |
0.038 |
41 |
43 |
|
B |
4 |
3 |
10240 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
2 |
10376 |
31.1 |
0.2 |
0.630 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
A |
1 |
1 |
10360 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
10376 |
18.3 |
0.9 |
0.868 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
C |
2 |
2 |
10317 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
10360 |
11.1 |
-0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
B |
1 |
1 |
10240 |
◊ |
[SO4]C:1229 |
x-1/2,-y-1/2,-z-1 |
4_444 |
3 |
1 |
185 |
10.7 |
-1.1 |
0.930 |
0 |
0 |
0 |
0.011 |
45 |
47 |
|
D |
1 |
1 |
10376 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10240 |
7.8 |
0.2 |
0.820 |
0 |
0 |
0 |
0.000 |
48 |
|
C |
1 |
1 |
10317 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10360 |
6.6 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
Average: |
7.2 |
0.2 |
0.819 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
B |
1 |
1 |
10240 |
x |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
1 |
1 |
10240 |
4.1 |
0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[SO4]D:1228 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10360 |
3.0 |
-0.4 |
0.594 |
0 |
0 |
0 |
0.003 |
48 |
51 |
|
D |
2 |
1 |
10376 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
10360 |
1.4 |
-0.1 |
0.458 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
[SO4]D:1224 |
1 |
1 |
185 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
10360 |
1.1 |
-0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
|